N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C13H13FN2O2 — CID 53016939

IUPACN-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C13H13FN2O2/c1-8(2)12-7-11(16-18-12)13(17)15-10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H,15,17)
InChIKeyBCUFKBVCHFNTLU-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.19
Rot. Bonds3

About N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 53016939) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID53016939
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C13H13FN2O2/c1-8(2)12-7-11(16-18-12)13(17)15-10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H,15,17)
InChIKeyBCUFKBVCHFNTLU-UHFFFAOYSA-N
XLogP3.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
CID 27537
N'-(2-fluorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812147
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173847
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
3,4-Dimethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydroisoxazolo[3,4-d]pyridazin-7-one
CID 2745188
N'-(2,4-difluorophenyl)-5-methyl-3-isoxazolecarbohydrazide
CID 2812872
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 53016939) is N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccccc2F)no1.
What is the InChIKey of N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is BCUFKBVCHFNTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8(2)12-7-11(16-18-12)13(17)15-10-6-4-3-5-9(10)14/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53016939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).